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CAS 1001322-86-6 8-BroMo-7-fluoroquinolin-2(1H)-one molecular structure lightbox
CAS RN: 1001322-86-6

8-BroMo-7-fluoroquinolin-2(1H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260523 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1001322-86-6
  • Purity/Analytical Methods: >99.0%
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1001322-86-6 / 8-bromo-7-fluoro-1H-quinolin-2-one

8-Bromo-7-fluoroquinolin-2(1H)-one | DTXSID50731231 | RefChem:311856

Standard CAS: 1001322-86-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1001322-86-6
Multi CAS
Yes
Molecular Formula
C9H5BrFNO
Molecular Weight
242.040000
Exact Mass
240.953850
SMILES
C1=CC(=C(C2=C1C=CC(=O)N2)Br)F
InChI
InChI=1S/C9H5BrFNO/c10-8-6(11)3-1-5-2-4-7(13)12-9(5)8/h1-4H,(H,12,13)
InChIKey
ZFVLXWUHSUHDGG-UHFFFAOYSA-N
Synonyms
8-Bromo-7-fluoroquinolin-2(1H)-one DTXSID50731231 RefChem:311856 DTXCID60681975 8-bromo-7-fluoro-1H-quinolin-2-one

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.23
TPSA
32.86

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.1
Consensus LogP
2.22
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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